1T9B
Crystal structure of yeast acetohydroxyacid synthase in complex with a sulfonylurea herbicide, chlorsulfuron
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-12-12 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.90 |
Spacegroup name | P 4 2 2 |
Unit cell lengths | 154.579, 154.579, 178.759 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.200 |
R-factor | 0.165 |
Rwork | 0.162 |
R-free | 0.19480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1n0h |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.000 | 2.280 |
High resolution limit [Å] | 2.190 | 2.190 |
Rmerge | 0.058 | 0.219 |
Number of reflections | 102885 | |
<I/σ(I)> | 17 | 4.11 |
Completeness [%] | 92.9 | 53.4 |
Redundancy | 5.3 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 290 | potassium phosphate, thiamin diphosphate, FAD, magnesium chloride, DTT, chlorsulfuron, Tris-HCl, Lithium sulfate, sodium potassium tartrate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K |